Opened 8 months ago

Closed 8 months ago

#17032 closed defect (duplicate)

Mac multi-display crash

Reported by: chimerax-bug-report@… Owned by: Tom Goddard
Priority: normal Milestone:
Component: Platform Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-15.3.1-arm64-arm-64bit
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
Last time you used ChimeraX it crashed.
This is a known crash that we are unable to fix. Here is information that may help you avoid this crash. The Qt window toolkit crashed due to a display configuration change, typically when waking from sleep or when an external display is disconnected or connected. This has only been seen on Mac computers. We hope a newer version of Qt will fix it. We update ChimeraX daily builds whenever a new Qt is released. You can check here https://www.cgl.ucsf.edu/chimerax/docs/troubleshoot.html#macdisplay to see if it has been fixed in a newer ChimeraX.
Fatal Python error: Segmentation fault

Current thread 0x00000001f10f8840 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 330 in event_loop
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1054 in init
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1217 in 
  File "", line 88 in _run_code
  File "", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.pdb_lib._load_libs, chimerax.map._map, charset_normalizer.md, requests.packages.charset_normalizer.md, requests.packages.chardet.md, PIL._imaging, kiwisolver._cext, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, PIL._imagingmath, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize (total: 59)


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  "procRole" : "Background",
  "version" : 2,
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  "codeSigningMonitor" : 2,
  "incident" : "73597751-CD8F-4C75-88D2-3AF44CF80C80",
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  "translated" : false,
  "cpuType" : "ARM-64",
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  "procLaunch" : "2025-03-06 10:47:39.7475 +0100",
  "procStartAbsTime" : 20861615134615,
  "procExitAbsTime" : 21585667028590,
  "procName" : "ChimeraX",
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  "responsibleProc" : "Terminal",
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
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===== Log before crash start =====
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure_1B_1C_globalview.cxc

> graphics silhouettes true

> lighting soft

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/models/scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb

Chain information for
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb
#1  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  
Computing secondary structure  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/models/scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_002_alphafold2_multimer_v3_model_1_seed_90195.pdb

Chain information for
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_002_alphafold2_multimer_v3_model_1_seed_90195.pdb
#2  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/models/scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_003_alphafold2_multimer_v3_model_5_seed_90196.pdb

Chain information for
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_003_alphafold2_multimer_v3_model_5_seed_90196.pdb
#3  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/models/scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_004_alphafold2_multimer_v3_model_1_seed_90196.pdb

Chain information for
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_004_alphafold2_multimer_v3_model_1_seed_90196.pdb
#4  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/models/scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_90197.pdb

Chain information for
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_90197.pdb
#5  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> mmaker #2/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_002_alphafold2_multimer_v3_model_1_seed_90195.pdb,
chain B (#2), sequence alignment score = 1113.2  
RMSD between 212 pruned atom pairs is 0.104 angstroms; (across all 212 pairs:
0.104)  
  

> mmaker #3/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_003_alphafold2_multimer_v3_model_5_seed_90196.pdb,
chain B (#3), sequence alignment score = 1116.2  
RMSD between 212 pruned atom pairs is 0.317 angstroms; (across all 212 pairs:
0.317)  
  

> mmaker #4/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_004_alphafold2_multimer_v3_model_1_seed_90196.pdb,
chain B (#4), sequence alignment score = 1116.2  
RMSD between 212 pruned atom pairs is 0.159 angstroms; (across all 212 pairs:
0.159)  
  

> mmaker #5/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_90197.pdb,
chain B (#5), sequence alignment score = 1116.2  
RMSD between 212 pruned atom pairs is 0.220 angstroms; (across all 212 pairs:
0.220)  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/models/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_74781.pdb

Chain information for
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_74781.pdb
#6  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/models/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_002_alphafold2_multimer_v3_model_2_seed_74777.pdb

Chain information for
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_002_alphafold2_multimer_v3_model_2_seed_74777.pdb
#7  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/models/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_003_alphafold2_multimer_v3_model_2_seed_74779.pdb

Chain information for
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_003_alphafold2_multimer_v3_model_2_seed_74779.pdb
#8  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/models/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_004_alphafold2_multimer_v3_model_2_seed_74780.pdb

Chain information for
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_004_alphafold2_multimer_v3_model_2_seed_74780.pdb
#9  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/models/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_74778.pdb

Chain information for
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_74778.pdb
#10  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> mmaker #6/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_74781.pdb,
chain B (#6), sequence alignment score = 685.8  
RMSD between 137 pruned atom pairs is 0.745 angstroms; (across all 206 pairs:
3.019)  
  

> mmaker #7/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_002_alphafold2_multimer_v3_model_2_seed_74777.pdb,
chain B (#7), sequence alignment score = 690.6  
RMSD between 139 pruned atom pairs is 0.790 angstroms; (across all 206 pairs:
2.958)  
  

> mmaker #8/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_003_alphafold2_multimer_v3_model_2_seed_74779.pdb,
chain B (#8), sequence alignment score = 688.6  
RMSD between 141 pruned atom pairs is 0.820 angstroms; (across all 206 pairs:
2.920)  
  

> mmaker #9/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_004_alphafold2_multimer_v3_model_2_seed_74780.pdb,
chain B (#9), sequence alignment score = 685.6  
RMSD between 141 pruned atom pairs is 0.771 angstroms; (across all 206 pairs:
2.932)  
  

> mmaker #10/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_74778.pdb,
chain B (#10), sequence alignment score = 685.8  
RMSD between 143 pruned atom pairs is 0.781 angstroms; (across all 206 pairs:
2.817)  
  

> select #1-5/A,B

16470 atoms, 16735 bonds, 2060 residues, 5 models selected  

> color sel light grey target acs

> hide sel target a

> show sel target c

> select clear

> select #1-5/C

1185 atoms, 1195 bonds, 150 residues, 5 models selected  

> hide sel target a

> show sel target c

> rainbow sel

> select #5-10/A,B

19789 atoms, 20057 bonds, 2472 residues, 6 models selected  

> color sel wheat target acs

> hide sel target a

> show sel target c

> select clear

> select #6-10/C

1175 atoms, 1200 bonds, 145 residues, 5 models selected  

> rainbow sel

> hide sel target a

> show sel target c

executed Figure_1B_1C_globalview.cxc  

> set bgColor white

> hide #5 models

> hide #6 models

> hide #7 models

> hide #8 models

> hide #9 models

> hide #10 models

> ui tool show "Side View"

> save
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure1A_global1.png.pdb

> hide #4 models

> hide #3 models

> hide #2 models

> hide #1 models

> show #5 models

> show #4 models

> show #3 models

> show #2 models

> show #1 models

> delete all

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure_1B_1C_globalview.cxc

> set bgColor white

> graphics silhouettes true

> lighting soft

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/models/scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb

Chain information for
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb
#1  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  
Computing secondary structure  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/models/scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_002_alphafold2_multimer_v3_model_1_seed_90195.pdb

Chain information for
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_002_alphafold2_multimer_v3_model_1_seed_90195.pdb
#2  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/models/scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_003_alphafold2_multimer_v3_model_5_seed_90196.pdb

Chain information for
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_003_alphafold2_multimer_v3_model_5_seed_90196.pdb
#3  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/models/scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_004_alphafold2_multimer_v3_model_1_seed_90196.pdb

Chain information for
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_004_alphafold2_multimer_v3_model_1_seed_90196.pdb
#4  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/models/scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_90197.pdb

Chain information for
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_90197.pdb
#5  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> mmaker #2/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_002_alphafold2_multimer_v3_model_1_seed_90195.pdb,
chain B (#2), sequence alignment score = 1113.2  
RMSD between 212 pruned atom pairs is 0.104 angstroms; (across all 212 pairs:
0.104)  
  

> mmaker #3/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_003_alphafold2_multimer_v3_model_5_seed_90196.pdb,
chain B (#3), sequence alignment score = 1116.2  
RMSD between 212 pruned atom pairs is 0.317 angstroms; (across all 212 pairs:
0.317)  
  

> mmaker #4/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_004_alphafold2_multimer_v3_model_1_seed_90196.pdb,
chain B (#4), sequence alignment score = 1116.2  
RMSD between 212 pruned atom pairs is 0.159 angstroms; (across all 212 pairs:
0.159)  
  

> mmaker #5/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_90197.pdb,
chain B (#5), sequence alignment score = 1116.2  
RMSD between 212 pruned atom pairs is 0.220 angstroms; (across all 212 pairs:
0.220)  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/models/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_74781.pdb

Chain information for
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_74781.pdb
#6  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/models/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_002_alphafold2_multimer_v3_model_2_seed_74777.pdb

Chain information for
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_002_alphafold2_multimer_v3_model_2_seed_74777.pdb
#7  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/models/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_003_alphafold2_multimer_v3_model_2_seed_74779.pdb

Chain information for
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_003_alphafold2_multimer_v3_model_2_seed_74779.pdb
#8  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/models/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_004_alphafold2_multimer_v3_model_2_seed_74780.pdb

Chain information for
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_004_alphafold2_multimer_v3_model_2_seed_74780.pdb
#9  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> open
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/models/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_74778.pdb

Chain information for
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_74778.pdb
#10  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> mmaker #6/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_74781.pdb,
chain B (#6), sequence alignment score = 685.8  
RMSD between 137 pruned atom pairs is 0.745 angstroms; (across all 206 pairs:
3.019)  
  

> mmaker #7/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_002_alphafold2_multimer_v3_model_2_seed_74777.pdb,
chain B (#7), sequence alignment score = 690.6  
RMSD between 139 pruned atom pairs is 0.790 angstroms; (across all 206 pairs:
2.958)  
  

> mmaker #8/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_003_alphafold2_multimer_v3_model_2_seed_74779.pdb,
chain B (#8), sequence alignment score = 688.6  
RMSD between 141 pruned atom pairs is 0.820 angstroms; (across all 206 pairs:
2.920)  
  

> mmaker #9/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_004_alphafold2_multimer_v3_model_2_seed_74780.pdb,
chain B (#9), sequence alignment score = 685.6  
RMSD between 141 pruned atom pairs is 0.771 angstroms; (across all 206 pairs:
2.932)  
  

> mmaker #10/A,B to #1/A,B

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb,
chain B (#1) with
hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_unrelaxed_rank_005_alphafold2_multimer_v3_model_2_seed_74778.pdb,
chain B (#10), sequence alignment score = 685.8  
RMSD between 143 pruned atom pairs is 0.781 angstroms; (across all 206 pairs:
2.817)  
  

> select #1-5/A,B

16470 atoms, 16735 bonds, 2060 residues, 5 models selected  

> color sel light grey target acs

> hide sel target a

> show sel target c

> select clear

> select #1-5/C

1185 atoms, 1195 bonds, 150 residues, 5 models selected  

> hide sel target a

> show sel target c

> rainbow sel

> select #6-10/A,B

16495 atoms, 16710 bonds, 2060 residues, 5 models selected  

> color sel wheat target acs

> hide sel target a

> show sel target c

> select clear

> select #6-10/C

1175 atoms, 1200 bonds, 145 residues, 5 models selected  

> rainbow sel

> hide sel target a

> show sel target c

executed Figure_1B_1C_globalview.cxc  

> hide #6 models

> hide #7 models

> hide #8 models

> hide #9 models

> hide #10 models

> hide #2 models

> show #2 models

> hide #3 models

> show #3 models

> save
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure_1A_global1.png
> width 1152 height 720 supersample 3

> hide #1 models

> hide #2 models

> hide #3 models

> hide #4 models

> hide #5 models

> show #6 models

> show #7 models

> show #8 models

> show #9 models

> show #10 models

> save
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure_1A_global2.png
> width 1152 height 720 supersample 3

> select clear

> save
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure_1A_global2.png
> width 1152 height 720 supersample 3

> hide #7 models

> hide #8 models

> hide #9 models

> hide #10 models

> hide #6 models

> show #1 models

> select #1/C

237 atoms, 239 bonds, 30 residues, 1 model selected  

> color sel orange

> style sel ball

Changed 237 atom styles  

> show sel atoms

> color sel byhetero

> select #1/C

237 atoms, 239 bonds, 30 residues, 1 model selected  

> hide sel atoms

> select #1/C:23

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #1/C:@N,CA,C,O

Expected an objects specifier or a keyword  

> select #1/C@N,CA,C,O

120 atoms, 119 bonds, 30 residues, 1 model selected  

> show sel atoms

> hide sel cartoons

> hide sel atoms

> select #1/C

237 atoms, 239 bonds, 30 residues, 1 model selected  

> show sel cartoons

> show #6 models

> show #7 models

> hide #7 models

> show #8 models

> hide #8 models

> show #9 models

> hide #9 models

> show #10 models

> hide #10 models

> hide #6 models

> select #1/C:25-30

44 atoms, 43 bonds, 6 residues, 1 model selected  

> hide sel cartoons

> select zone #1/C:23 4.0 #1/A,B

Selected 3 atoms  

> select zone #1/C:23 4.0 #1/A,B residues true

Selected 27 atoms  

> show sel atoms

> style sel ball

Changed 27 atom styles  

> select #1/A,B

3294 atoms, 3347 bonds, 412 residues, 1 model selected  
Alignment identifier is 1/A  
Alignment identifier is 1/B  

> select #1/A:1

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/A:1-3

19 atoms, 18 bonds, 3 residues, 1 model selected  

> renumber #1/B start 1101

212 residues renumbered  

> renumber #1-5/B start 1101

848 residues renumbered  

> hide #1 models

> show #6 models

> select #6/A,B

3299 atoms, 3342 bonds, 412 residues, 1 model selected  
Alignment identifier is 6/A  
Alignment identifier is 6/B  

> renumber #6-10/B start 1101

1060 residues renumbered  

> select #6/C

235 atoms, 240 bonds, 29 residues, 1 model selected  
Alignment identifier is 6/C  

> select zone #1/C:23 4.0 #1/A,B residues true

Selected 27 atoms  

> hide #6 models

> show #1 models

> label sel text "{0.name} {0.number}{0.insertion_code}"

> graphics silhouettes false

> graphics silhouettes true

> lighting soft

> ui mousemode right "move label"

> ui mousemode right label

> label #1/C:23

> ui mousemode right "move label"

> select #1/C:23

8 atoms, 7 bonds, 1 residue, 1 model selected  

> ui tool show "Color Actions"

> color sel orange target l

> show #2 models

> hide #2 models

> show #2 models

> hide #2 models

> show #3 models

> hide #3 models

> show #4 models

> hide #4 models

> show #5 models

> hide #5 models

> ui mousemode right translate

> select zone #1/C:23 4.5 #1/A,B residues true

Selected 27 atoms  

> show sel atoms

> select clear

> save
> "/Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure
> 1B_2I23_around.png" width 1152 height 720 supersample 3

> hide #!1 models

> show #5 models

> hide #5 models

> show #6 models

> renumber #6-10/C start 449

145 residues renumbered  

> select #6.C:453,465

Expected an objects specifier or a keyword  

> select #6/C:453,465

28 atoms, 30 bonds, 2 residues, 1 model selected  

> show sel atoms

> color #1/C lawn green

> color #1/C lawn green target ac

> color #6/C lawn green target ac

> label sel text "{0.name} {0.number}{0.insertion_code}"

> select zone #6/C:453

Missing or invalid "range" argument: Expected a number  

> select zone #6/C:

Missing or invalid "near" argument: only initial part "#6/C" of atom specifier
valid  

> select zone #6/C:453 4.0 #6/A,B residues true

Selected 57 atoms  

> show sel atoms

> style sel ball

Changed 57 atom styles  

> label sel text "{0.name} {0.number}{0.insertion_code}"

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!6 models

> show #!6 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> select #6:C:453

14 atoms, 15 bonds, 1 residue, 1 model selected  

> hide sel cartoons

> show sel atoms

> style sel ball

Changed 14 atom styles  

> select #6:C1271,1288

11 atoms, 10 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #6/A,B:1271,1288

20 atoms, 18 bonds, 2 residues, 1 model selected  

> hide sel atoms

> ~label sel residues

> select #6/C

235 atoms, 240 bonds, 29 residues, 1 model selected  

> show sel cartoons

> ui mousemode right "move label"

> select #6/C:453

14 atoms, 15 bonds, 1 residue, 1 model selected  

> ui tool show "Color Actions"

> color sel forest green target l

> select clear

> save
> "/Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure
> 1B_3_W453_around.png" width 1152 height 720 supersample 3

> save
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure1_BC.cxs

> show #7 models

> show #8 models

> show #9 models

> show #10 models

> ui tool show "AlphaFold Error Plot"

> alphafold pae #6 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/scores/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_scores_rank_001_alphafold2_multimer_v3_model_2_seed_74781.json

> color bfactor #6 palette alphafold

3534 atoms, 441 residues, atom bfactor range 30.4 to 98.4  

> hide #7 models

> hide #8 models

> hide #9 models

> hide #10 models

> ui tool show "AlphaFold Error Plot"

> alphafold pae #7 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/scores/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_scores_rank_002_alphafold2_multimer_v3_model_2_seed_74777.json

> color bfactor #7 palette alphafold

3534 atoms, 441 residues, atom bfactor range 29.4 to 98.4  

> show #7 models

> show #8 models

> ui tool show "AlphaFold Error Plot"

> alphafold pae #8 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/scores/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_scores_rank_003_alphafold2_multimer_v3_model_2_seed_74779.json

> color bfactor #8 palette alphafold

3534 atoms, 441 residues, atom bfactor range 28.1 to 98.4  

> show #9 models

> ui tool show "AlphaFold Error Plot"

> alphafold pae #9 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/scores/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_scores_rank_004_alphafold2_multimer_v3_model_2_seed_74780.json

> color bfactor #9 palette alphafold

3534 atoms, 441 residues, atom bfactor range 28.9 to 98.4  

> show #10 models

> ui tool show "AlphaFold Error Plot"

> alphafold pae #10 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/scores/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_scores_rank_005_alphafold2_multimer_v3_model_2_seed_74778.json

> color bfactor #10 palette alphafold

3534 atoms, 441 residues, atom bfactor range 28.9 to 98.4  

> color #6-10/A,B wheat target c

> color #6-10/A,B wheat target ca

> ui mousemode right translate

> save
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/scores/hRad50_Trf2_IDDR_pLDDT_IDDR.png
> width 1152 height 720 supersample 3

> select #6-10:453

70 atoms, 75 bonds, 5 residues, 5 models selected  

> show sel atoms

> select #6-10:449-453

215 atoms, 225 bonds, 25 residues, 5 models selected  

> select #6-10:449-452

145 atoms, 145 bonds, 20 residues, 5 models selected  

> hide sel cartoons

> ui mousemode right "move label"

> save
> "/Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure
> 1B_W453_around_pLDDT.png" width 1152 height 720 supersample 3

> ui mousemode right translate

> save
> "/Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Papier_rif2BAT_2025/Figure
> 1B_hRad50_Trf2IDDR_pLDDT.png" width 1152 height 720 supersample 3

> hide #!6 models

> hide #7 models

> hide #8 models

> hide #9 models

> hide #10 models

> show #!1 models

> ui tool show "AlphaFold Error Plot"

> alphafold pae #1 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/scores/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_scores_rank_001_alphafold2_multimer_v3_model_2_seed_74781.json

Structure
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb
#1 does not match PAE matrix size 441.The structure has 442 polymer residues
and 0 non-polymer atoms  
  
This can happen if chains or atoms were deleted from the AlphaFold model or if
the PAE data was applied to a structure that was not the one predicted by
AlphaFold. Use the full-length AlphaFold model to show predicted aligned
error.  

> ui tool show "AlphaFold Error Plot"

> alphafold pae #1 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/hrad50_1-200_1101-1312_trf2IDDR_448_478_25st_88f42/predictions/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478/scores/hrad50_monomer_1-200_1101-1312_trf2IDDR_448_478_scores_rank_001_alphafold2_multimer_v3_model_2_seed_74781.json

Structure
scRad50_1_200_1101_1312_scRif2BAT_1_30_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_90197.pdb
#1 does not match PAE matrix size 441.The structure has 442 polymer residues
and 0 non-polymer atoms  
  
This can happen if chains or atoms were deleted from the AlphaFold model or if
the PAE data was applied to a structure that was not the one predicted by
AlphaFold. Use the full-length AlphaFold model to show predicted aligned
error.  

> ui tool show "AlphaFold Error Plot"

> alphafold pae #1 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/scores/scRad50_1_200_1101_1312_scRif2BAT_1_30_scores_rank_001_alphafold2_multimer_v3_model_1_seed_90197.json

> color bfactor #1 palette alphafold

3531 atoms, 442 residues, atom bfactor range 31.7 to 98.1  

> ui tool show "AlphaFold Error Plot"

> alphafold pae #2 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/scores/scRad50_1_200_1101_1312_scRif2BAT_1_30_scores_rank_002_alphafold2_multimer_v3_model_1_seed_90195.json

> color bfactor #2 palette alphafold

3531 atoms, 442 residues, atom bfactor range 33.6 to 97.9  

> alphafold pae #2 colorDomains true

> color bfactor #2 palette alphafold

3531 atoms, 442 residues, atom bfactor range 33.6 to 97.9  

> show #2 models

> ui tool show "AlphaFold Error Plot"

> alphafold pae #3 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/scores/scRad50_1_200_1101_1312_scRif2BAT_1_30_scores_rank_003_alphafold2_multimer_v3_model_5_seed_90196.json

> color bfactor #3 palette alphafold

3531 atoms, 442 residues, atom bfactor range 34.3 to 97.9  

> show #3 models

> show #4 models

> ui tool show "AlphaFold Error Plot"

> alphafold pae #4 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/scores/scRad50_1_200_1101_1312_scRif2BAT_1_30_scores_rank_004_alphafold2_multimer_v3_model_1_seed_90196.json

> color bfactor #4 palette alphafold

3531 atoms, 442 residues, atom bfactor range 32.7 to 97.9  

> show #5 models

> ui tool show "AlphaFold Error Plot"

> alphafold pae #5 file
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/ALphaFold2_I2BC/scRad50_1_200_1101_1312_scRif2BAT_1_30_25st_2f3b3/predictions/scRad50_1_200_1101_1312_scRif2BAT_1_30/scores/scRad50_1_200_1101_1312_scRif2BAT_1_30_scores_rank_005_alphafold2_multimer_v3_model_2_seed_90197.json

> color bfactor #5 palette alphafold

3531 atoms, 442 residues, atom bfactor range 32.5 to 98.2  

> select #1-5/A/B

16470 atoms, 16735 bonds, 2060 residues, 5 models selected  

> color sel light grey target ac

> select clear

> hide #5 models

> show #5 models

> select #1-5/C:26-30

175 atoms, 170 bonds, 25 residues, 5 models selected  

> hide sel cartoons

> hide #5 models

> show #5 models

> hide #4 models

> show #4 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> save
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Figure1B_scRad50_Rif2BAT_pLDDT.png
> width 964 height 720 supersample 3

> select #1-5/C:23

40 atoms, 35 bonds, 5 residues, 5 models selected  

> show sel atoms

> hide #4 models

> show #4 models

> hide #3 models

> ui mousemode right "move label"

> select clear

> save
> /Users/pc126390/Integrative_Modelling/Projet_scRad50_rif2BAT/Figure1B_scRad50_Rif2Bat_pLDDT_zoom.png
> width 964 height 720 supersample 3


===== Log before crash end =====

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 89.3
OpenGL renderer: Apple M4 Max
OpenGL vendor: Apple

Python: 3.11.4
Locale: fr_FR.UTF-8
Qt version: PyQt6 6.7.1, Qt 6.7.1
Qt runtime version: 6.7.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: Mac16,5
      Model Number: Z1FV000H9FN/A
      Chip: Apple M4 Max
      Total Number of Cores: 14 (10 performance and 4 efficiency)
      Memory: 36 GB
      System Firmware Version: 11881.81.4
      OS Loader Version: 11881.81.4

Software:

    System Software Overview:

      System Version: macOS 15.3.1 (24D70)
      Kernel Version: Darwin 24.3.0
      Time since boot: 21 jours, 1 heure et 58 minutes

Graphics/Displays:

    Apple M4 Max:

      Chipset Model: Apple M4 Max
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 32
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3456 x 2234 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 1.0.0
    anyio: 4.7.0
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.0
    auditwheel: 6.1.0
    babel: 2.16.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 3.0.0
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.4.post1
    charset-normalizer: 3.4.0
    ChimeraX-AddCharge: 1.5.18
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.16.1
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.58.8
    ChimeraX-AtomicLibrary: 14.1.11
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.4.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.3
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.9
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.4
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2.6
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.4.1
    ChimeraX-Hbonds: 2.5
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.3
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.2.1
    ChimeraX-Label: 1.1.14
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.3
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.6
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.2
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.2
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.18
    ChimeraX-ModelPanel: 1.5
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-MutationScores: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.14
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.6
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.2
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.6
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.14
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.0
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-SimilarStructures: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.18.1
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2.3
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.41
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.4
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.3.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.9
    decorator: 5.1.1
    docutils: 0.21.2
    executing: 2.1.0
    filelock: 3.15.4
    fonttools: 4.55.3
    funcparserlib: 2.0.0a0
    glfw: 2.8.0
    grako: 3.16.5
    h11: 0.14.0
    h5py: 3.12.1
    html2text: 2024.2.26
    httpcore: 1.0.7
    httpx: 0.28.1
    idna: 3.10
    ihm: 1.3
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.5
    jedi: 0.19.1
    Jinja2: 3.1.4
    jupyter_client: 8.6.2
    jupyter_core: 5.7.2
    jupyterlab_widgets: 3.0.13
    kiwisolver: 1.4.7
    line_profiler: 4.1.3
    lxml: 5.2.2
    lz4: 4.3.3
    MarkupSafe: 3.0.2
    matplotlib: 3.9.2
    matplotlib-inline: 0.1.7
    msgpack: 1.0.8
    ndindex: 1.9.2
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.2
    numpy: 1.26.4
    openvr: 1.26.701
    packaging: 23.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.4.0
    pip: 24.2
    pkginfo: 1.11.1
    platformdirs: 4.3.6
    prompt_toolkit: 3.0.48
    psutil: 6.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pyelftools: 0.31
    Pygments: 2.18.0
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.2.0
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.7.1
    PyQt6-Qt6: 6.7.3
    PyQt6-WebEngine-commercial: 6.7.0
    PyQt6-WebEngine-Qt6: 6.7.3
    PyQt6-WebEngineSubwheel-Qt6: 6.7.3
    PyQt6_sip: 13.8.0
    python-dateutil: 2.9.0.post0
    pytz: 2024.2
    pyzmq: 26.2.0
    qtconsole: 5.5.2
    QtPy: 2.4.2
    qtshim: 1.0
    RandomWords: 0.4.0
    requests: 2.32.3
    scipy: 1.14.0
    setuptools: 72.1.0
    sfftk-rw: 0.8.1
    six: 1.16.0
    sniffio: 1.3.1
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.6
    Sphinx: 8.0.2
    sphinx-autodoc-typehints: 2.2.3
    sphinxcontrib-applehelp: 2.0.0
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 2.0.0
    sphinxcontrib-htmlhelp: 2.1.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 2.0.0
    sphinxcontrib-serializinghtml: 2.0.0
    stack-data: 0.6.3
    superqt: 0.6.3
    tables: 3.10.1
    tcia_utils: 1.5.1
    tifffile: 2024.7.24
    tinyarray: 1.2.4
    tornado: 6.4.2
    traitlets: 5.14.3
    typing_extensions: 4.12.2
    tzdata: 2024.2
    urllib3: 2.2.3
    wcwidth: 0.2.13
    webcolors: 24.6.0
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.13

Change History (2)

comment:1 by Tom Goddard, 8 months ago

Component: UnassignedPlatform
Owner: set to Tom Goddard
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionMac multi-display crash

comment:2 by Tom Goddard, 8 months ago

Resolution: duplicate
Status: assignedclosed
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